General Information of the Compound
| Compound ID |
CP0465236
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| Compound Name |
3-isopropoxy-5-(2-methylquinolin-7-yl)benzonitrile
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| Structure |
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| Formula |
C20H18N2O
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| Molecular Weight |
302.377
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| Canonical SMILES |
CC(C)Oc1cc(cc(c1)-c1ccc2ccc(C)nc2c1)C#N
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| InChI |
InChI=1S/C20H18N2O/c1-13(2)23-19-9-15(12-21)8-18(10-19)17-7-6-16-5-4-14(3)22-20(16)11-17/h4-11,13H,1-3H3
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| InChIKey |
NBSQDGOMFCLRNW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound